4-(((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid
4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid
Also Known As: 4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic Acid|4-(((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid|4-({[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoic acid
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.0994 g/mol |
| LogP | 3.3505 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0994 |
| Monoisotopic Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 831.5567 |
Chemical Identifiers
| CAS Number | 577981-88-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=N3 |
Product Overview
4-(((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid (CAS 577981-88-5), with molecular formula C17H16N4O2S and molecular weight 340.0994 g/mol. IUPAC: 4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid.
4-(((4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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